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Substance Name: Carbamic acid, (3-chlorophenyl)-, 4-((2-bromoethyl)methylamino)-2-butynyl ester, ethanedioate (1:1)
RN: 123567-35-1
InChIKey: RLNCYWGKUIFYRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Br-Cl-N2-O2.C2-H2-O4

Molecular Weight

  • 449.6832
 
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Names and Synonyms

Synonyms

  • 4-((2-Bromoethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate ethanedioate (1:1)
  • 4-((2-Bromoethyl)methylamino)-2-butynyl N-(3-chlorophenyl)carbamate oxalate
  • BR 384

Systematic Name

  • Carbamic acid, (3-chlorophenyl)-, 4-((2-bromoethyl)methylamino)-2-butynyl ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 123567-35-1

Related Registry Number

  • 123567-34-0 (Parent)

System Generated Number

  • 0123567351

Molecular Formulas

Molecular Formula

  • C14-H16-Br-Cl-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C14-H16-Br-Cl-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H16BrClN2O2.C2H2O4/c1-18(9-7-15)8-2-3-10-20-14(19)17-13-6-4-5-12(16)11-13;3-1(4)2(5)6/h4-6,11H,7-10H2,1H3,(H,17,19);(H,3,4)(H,5,6)

InChIKey

RLNCYWGKUIFYRC-UHFFFAOYSA-N

Smiles

CN(CCBr)CC#CCOC(=O)Nc1cccc(c1)Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25723ug/kg (25.723mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 281, 1990.